N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide

C18H28N4O — CID 119554014

IUPACN-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C18H28N4O/c1-20(17-7-9-19-15-17)18(23)8-10-21-11-13-22(14-12-21)16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyCYCCZZYVTDOXRV-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.02
Rot. Bonds5

About N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide

N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119554014) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
PubChem CID119554014
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C18H28N4O/c1-20(17-7-9-19-15-17)18(23)8-10-21-11-13-22(14-12-21)16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyCYCCZZYVTDOXRV-UHFFFAOYSA-N
XLogP1.02
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550223
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532179
N-(3-methylpiperidin-4-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 120557201
2-[cyclopropyl-[3-(4-phenylpiperazin-1-yl)propanoyl]amino]propanoic acid
CID 122067296
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
N-cyclobutyl-N-methyl-3-piperazin-1-ylpropanamide
CID 115171758
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide (CID 119554014) is N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide is CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CCNC1.
What is the InChIKey of N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is CYCCZZYVTDOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20(17-7-9-19-15-17)18(23)8-10-21-11-13-22(14-12-21)16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3.
What are the key properties of N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide?
N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 316.45 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119554014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).